N-[3-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C3=NC(=NC=C3)NC4=CC=CC(=C4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C3=NC(=NC=C3)NC4=CC=CC(=C4)N

InChI

InChI=1S/C21H17N5OS/c22-15-5-2-7-17(13-15)25-21-23-10-9-18(26-21)14-4-1-6-16(12-14)24-20(27)19-8-3-11-28-19/h1-13H,22H2,(H,24,27)(H,23,25,26)